CompoundList
Sign in
Murcko scaffold

Ring system with 5 rings and 30 atoms

19 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
30
Chemicals
19
With full pages
5
Scaffold SMILES

O=c1[nH]c(=O)c2c(nc(N3CCN(c4ccccc4)CC3)n2Cc2ccccc2)[nH]1

A Bemis-Murcko scaffold is what remains of a molecule when every side chain is removed: the rings and the chains that link them. Chemicals that share a scaffold often belong to the same compound series, which helps when you look for analogues, alternative suppliers or related building blocks.

Substructure search with this scaffold
Murcko scaffold O=c1[nH]c(=O)c2c(nc(N3CCN(c4ccccc4)CC3)n2Cc2ccccc2)[nH]1

Computed from the structures of the chemicals listed here. Stereo and charges are removed before the scaffold is taken.

Chemicals with this scaffold

Open one to see its structure, properties and suppliers.

Showing 1 to 19 of 19 chemicals

8-(4-(4-Methoxyphenyl)piperazin-1-yl)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C25H28N6O3, CAS 442864-46-2
8-(4-(4-Methoxyphenyl)piperazin-1-yl)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
CAS 442864-46-2C25H28N6O3
1,3-Dimethyl-7-(3-methylbenzyl)-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C25H28N6O2, CAS 378204-70-7
1,3-Dimethyl-7-(3-methylbenzyl)-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 378204-70-7C25H28N6O2
7-Benzyl-8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C25H28N6O3, CAS 652166-14-8
7-Benzyl-8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CAS 652166-14-8C25H28N6O3
7-Benzyl-1,3-dimethyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C24H26N6O2, CAS 378203-42-0
7-Benzyl-1,3-dimethyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 378203-42-0C24H26N6O2
7-(2-Chlorobenzyl)-3-methyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C23H23ClN6O2, CAS 377052-22-7
7-(2-Chlorobenzyl)-3-methyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 377052-22-7C23H23ClN6O2
3-Methyl-7-(3-methylbenzyl)-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C24H26N6O2, CAS 376623-09-5
3-Methyl-7-(3-methylbenzyl)-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 376623-09-5C24H26N6O2
7-(2-Chlorobenzyl)-1,3-dimethyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C24H25ClN6O2, CAS 361174-85-8
7-(2-Chlorobenzyl)-1,3-dimethyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 361174-85-8C24H25ClN6O2
7-(2-Chlorobenzyl)-8-(4-(3-chlorophenyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C23H22Cl2N6O2, CAS 442864-47-3
7-(2-Chlorobenzyl)-8-(4-(3-chlorophenyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 442864-47-3C23H22Cl2N6O2
7-Benzyl-8-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylpurine-2,6-dione chemical structure, C23H23FN6O2, CAS 331666-80-9
7-Benzyl-8-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylpurine-2,6-dione
CAS 331666-80-9C23H23FN6O2
7-Benzyl-8-(4-(4-methoxy-PH)-1-piperazinyl)-3-ME-3,7-dihydro-1H-purine-2,6-dione chemical structure, C24H26N6O3, CAS 331666-83-2
7-Benzyl-8-(4-(4-methoxy-PH)-1-piperazinyl)-3-ME-3,7-dihydro-1H-purine-2,6-dione
CAS 331666-83-2C24H26N6O3
7-Benzyl-3-methyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C23H24N6O2, CAS 361174-97-2
7-Benzyl-3-methyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 361174-97-2C23H24N6O2
7-Benzyl-8-(4-(3-chlorophenyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C23H23ClN6O2, CAS 442864-43-9
7-Benzyl-8-(4-(3-chlorophenyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 442864-43-9C23H23ClN6O2
7-[(2-Fluorophenyl)methyl]-3-methyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione chemical structure, C23H23FN6O2, CAS 673490-86-3
7-[(2-Fluorophenyl)methyl]-3-methyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione
CAS 673490-86-3C23H23FN6O2
7-(2-Chlorobenzyl)-8-[4-(4-methoxyphenyl)-1-piperazinyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C24H25ClN6O3, CAS 476481-81-9
7-(2-Chlorobenzyl)-8-[4-(4-methoxyphenyl)-1-piperazinyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
CAS 476481-81-9C24H25ClN6O3
8-[4-(4-Methoxyphenyl)piperazin-1-yl]-1,3-dimethyl-7-[(2-methylphenyl)methyl]purine-2,6-dione chemical structure, C26H30N6O3, CAS 652168-11-1
8-[4-(4-Methoxyphenyl)piperazin-1-yl]-1,3-dimethyl-7-[(2-methylphenyl)methyl]purine-2,6-dione
CAS 652168-11-1C26H30N6O3
7-(2-Chlorobenzyl)-8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C25H27ClN6O3, CAS 845661-58-7
7-(2-Chlorobenzyl)-8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CAS 845661-58-7C25H27ClN6O3
7-(2-Chlorobenzyl)-8-(4-(3-chlorophenyl)piperazin-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C24H24Cl2N6O2, CAS 652168-04-2
7-(2-Chlorobenzyl)-8-(4-(3-chlorophenyl)piperazin-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 652168-04-2C24H24Cl2N6O2
8-[4-(3-Chlorophenyl)piperazin-1-yl]-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione chemical structure, C25H27ClN6O2, CAS 652167-83-4
8-[4-(3-Chlorophenyl)piperazin-1-yl]-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione
CAS 652167-83-4C25H27ClN6O2
7-(4-Fluorobenzyl)-8-(4-(4-methoxyphenyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C24H25FN6O3, CAS 887200-26-2
7-(4-Fluorobenzyl)-8-(4-(4-methoxyphenyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 887200-26-2C24H25FN6O3